SCHEMBL20162251

SCHEMBL20162251

CCCOc1cc(C=C(C(C)=O)C(=O)CCC)cc(OCCC)c1OCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ AKR1C3 P42330 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GLO1 Q04760 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TUBB4A P04350 2/20 0.32
▸ TUBB P07437 2/20 0.32
▸ TUBA3C P0DPH7 2/20 0.32
▸ TUBA1B P68363 2/20 0.32
▸ TUBA4A P68366 2/20 0.32
▸ TUBB4B P68371 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20395700 1.00 GAA (0.38) GAATDP1MAPTKDM4EALDH1A1
SCHEMBL20395681 0.93 ALDH1A1 (0.39) GAATDP1MAPTKDM4EALDH1A1
SCHEMBL20395679 0.93 ALDH1A1 (0.39) GAATDP1MAPTKDM4EALDH1A1
SCHEMBL20162235 0.91 CYP3A4 (0.37) GAATDP1MAPTKDM4EALDH1A1
SCHEMBL20395664 0.91 CYP3A4 (0.37) GAATDP1MAPTKDM4EALDH1A1
SCHEMBL20162261 0.90 TDP1 (0.46) GAATDP1MAPTKDM4EALDH1A1
SCHEMBL20162260 0.88 TSHR (0.44) GAATDP1MAPTKDM4EALDH1A1
SCHEMBL20395701 0.88 TSHR (0.44) GAATDP1MAPTKDM4EALDH1A1
SCHEMBL20162232 0.87 MEN1 (0.38) GAATDP1MAPTKDM4EALDH1A1
SCHEMBL20395699 0.87 MEN1 (0.38) GAATDP1MAPTKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-07-26 — — US disclosed
EP-3322400-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS Merck Patent GmbH (DE) 2018-05-23 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 GAA 1205/4885TDP1 895/4885MAPT 1864/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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